[2-(benzenesulfinyl)-5-phenylpent-1-en-3-yl] acetate

C19H20O3S — CID 134884734

IUPAC[2-(benzenesulfinyl)-5-phenylpent-1-en-3-yl] acetate
SMILESC=C(C(CCc1ccccc1)OC(C)=O)S(=O)c1ccccc1
InChIInChI=1S/C19H20O3S/c1-15(23(21)18-11-7-4-8-12-18)19(22-16(2)20)14-13-17-9-5-3-6-10-17/h3-12,19H,1,13-14H2,2H3
InChIKeySVWJNMTWXVPCAP-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.87
Rot. Bonds7

About [2-(benzenesulfinyl)-5-phenylpent-1-en-3-yl] acetate

[2-(benzenesulfinyl)-5-phenylpent-1-en-3-yl] acetate (PubChem CID 134884734) has the molecular formula C19H20O3S and a molecular weight of 328.43 g/mol. Its IUPAC name is [2-(benzenesulfinyl)-5-phenylpent-1-en-3-yl] acetate.

Molecular Properties

Compound Name[2-(benzenesulfinyl)-5-phenylpent-1-en-3-yl] acetate
PubChem CID134884734
Molecular FormulaC19H20O3S
Molecular Weight328.43 g/mol
Exact Mass328.11
IUPAC Name[2-(benzenesulfinyl)-5-phenylpent-1-en-3-yl] acetate
SMILESC=C(C(CCc1ccccc1)OC(C)=O)S(=O)c1ccccc1
InChIInChI=1S/C19H20O3S/c1-15(23(21)18-11-7-4-8-12-18)19(22-16(2)20)14-13-17-9-5-3-6-10-17/h3-12,19H,1,13-14H2,2H3
InChIKeySVWJNMTWXVPCAP-UHFFFAOYSA-N
XLogP3.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfinyl)-5-phenylpent-1-en-3-yl] acetate?
The IUPAC name of [2-(benzenesulfinyl)-5-phenylpent-1-en-3-yl] acetate (CID 134884734) is [2-(benzenesulfinyl)-5-phenylpent-1-en-3-yl] acetate.
What is the SMILES notation for [2-(benzenesulfinyl)-5-phenylpent-1-en-3-yl] acetate?
The canonical SMILES for [2-(benzenesulfinyl)-5-phenylpent-1-en-3-yl] acetate is C=C(C(CCc1ccccc1)OC(C)=O)S(=O)c1ccccc1.
What is the InChIKey of [2-(benzenesulfinyl)-5-phenylpent-1-en-3-yl] acetate?
The InChIKey is SVWJNMTWXVPCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3S/c1-15(23(21)18-11-7-4-8-12-18)19(22-16(2)20)14-13-17-9-5-3-6-10-17/h3-12,19H,1,13-14H2,2H3.
What are the key properties of [2-(benzenesulfinyl)-5-phenylpent-1-en-3-yl] acetate?
[2-(benzenesulfinyl)-5-phenylpent-1-en-3-yl] acetate has a molecular weight of 328.43 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenesulfinyl)-5-phenylpent-1-en-3-yl] acetate is sourced from PubChem (CID 134884734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).